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Title: Materials Data on CaTeO4 by Materials Project

Abstract

CaTeO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with four equivalent CaO6 octahedra, corners with six equivalent TeO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There are a spread of Ca–O bond distances ranging from 2.38–2.43 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent CaO6 octahedra, an edgeedge with one CaO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There are a spread of Te–O bond distances ranging from 1.87–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ca2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+ and two equivalent Te6+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-12221
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CaTeO4; Ca-O-Te
OSTI Identifier:
1188655
DOI:
https://doi.org/10.17188/1188655

Citation Formats

The Materials Project. Materials Data on CaTeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188655.
The Materials Project. Materials Data on CaTeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1188655
The Materials Project. 2020. "Materials Data on CaTeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1188655. https://www.osti.gov/servlets/purl/1188655. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1188655,
title = {Materials Data on CaTeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaTeO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with four equivalent CaO6 octahedra, corners with six equivalent TeO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There are a spread of Ca–O bond distances ranging from 2.38–2.43 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent CaO6 octahedra, an edgeedge with one CaO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There are a spread of Te–O bond distances ranging from 1.87–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ca2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+ and two equivalent Te6+ atoms.},
doi = {10.17188/1188655},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}